CAS 219823-47-9

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2 End Use APIs
83 Related Intermediates

Chemistry

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Also known as: 219823-47-9, (3r)-tetrahydrofuran-3-yl 4-methylbenzenesulfonate, A4fnd4p2ym, [(3r)-oxolan-3-yl] 4-methylbenzenesulfonate, (r)-toluene-4-sulfonic acid tetrahydrofuran-3-yl ester, (3r)-oxolan-3-yl 4-methylbenzene-1-sulfonate

Molecular Formula

C₁₁H₁₄O₄S

Molecular Weight

242.29 g/mol

InChI Key

WWCNXHYRAKUQDB-SNVBAGLBSA-N

FDA UNII

A4FND4P2YM

1 2D Structure

CAS 219823-47-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3R)-oxolan-3-yl] 4-methylbenzenesulfonate

2.1.2 InChI

InChI=1S/C11H14O4S/c1-9-2-4-11(5-3-9)16(12,13)15-10-6-7-14-8-10/h2-5,10H,6-8H2,1H3/t10-/m1/s1

2.1.3 InChI Key

WWCNXHYRAKUQDB-SNVBAGLBSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCOC2

2.1.5 Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CCOC2

2.2 Other Identifiers

2.2.1 UNII

A4FND4P2YM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 219823-47-9

2. (3r)-tetrahydrofuran-3-yl 4-methylbenzenesulfonate

3. A4fnd4p2ym

4. [(3r)-oxolan-3-yl] 4-methylbenzenesulfonate

5. (r)-toluene-4-sulfonic Acid Tetrahydrofuran-3-yl Ester

6. (3r)-oxolan-3-yl 4-methylbenzene-1-sulfonate

7. 4-methylbenzenesulfonic Acid (3r)-oxolan-3-yl Ester

8. Tetrahydrofuran-3-yl 4-methylbenzenesulfonate, (3r)-

9. 3-furanol, Tetrahydro-, 3-(4-methylbenzenesulfonate), (3r)-

10. Mfcd27947543

11. Unii-a4fnd4p2ym

12. Schembl507364

13. Zinc34165052

14. Ac-29063

15. Bs-16642

16. Cs-0106178

17. R)-3-(p-toluenesulfonyl) Oxytetrahydrofuran

18. (3r)-oxolan-3-yl4-methylbenzene-1-sulfonate

19. (r)-tetrahydrofuran-3-yl4-methylbenzenesulfonate

20. (r)-3-(4-methylphenylsulfonyloxy)-tetrahydrofuran

21. (r)-tetrahydrofuran-3-yl-4-methylbenzenesulfonate

22. (r)-3-(4-methylphenyl-sulfonyloxy)-tetrahydrofuran

23. (r)-3-[(4-methylphenyl)sulphonyloxy]-tetrahydrofuran

24. [(3r)-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate

25. P-toluenesulfonic Acid (r)-tetrahydrofuran-3-yl Ester

26. (r)-toluene-4-sulfonic Acid Tetrahydro-furan-3-yl Ester

27. Toluene-4-sulfonic Acid (r)-(tetrahydro-furan-3-yl) Ester

28. Toluene-4-sulfonic Acid (r)-(tetrahydro-furan-3-yl)ester

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄O₄S
Molecular Weight	242.29 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	242.06128010 g/mol
Monoisotopic Mass	242.06128010 g/mol
Topological Polar Surface Area	61 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	311
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1